Geometry & MOs

Info

ID:	380013
PubChem CID:	134964481
Reduced:	ClOSC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	437.80329
ΔH_f, kcal/mol:	-61.52
Dipole, Da:	4.28
IP(EA), eV:	-8.72(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)C[C@H](C(C)(C)C)SC1=CC=C(C=C1)Cl

DOS

IR

Vibrations